[4-[3-ethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanylidene-propyl]phenyl] 1-methylpiperidine-4-carboxylate

Systemtic Name: [4-[3-ethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanylidene-propyl]phenyl] 1-methylpiperidine-4-carboxylate Openeye Name: [4-[3-ethoxy-3-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propyl]phenyl] 1-methylpiperidine-4-carboxylate CAS Name: 1-methyl-4-piperidinecarboxylic acid [4-[3-ethoxy-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-oxopropyl]phenyl] ester IUPAC Name: [4-[3-ethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-oxopropyl]phenyl] 1-methylpiperidine-4-carboxylate Traditional Name: 1-methylisonipecotic acid [4-[3-ethoxy-3-keto-2-[(1-tosylprolyl)amino]propyl]phenyl] ester Formula: C30H39N3O7S MolecularWeight: 585.71156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C2CCN(CC2)C)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C2CCN(CC2)C)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C30H39N3O7S/c1-4-39-30(36)26(20-22-9-11-24(12-10-22)40-29(35)23-15-18-32(3)19-16-23)31-28(34)27-6-5-17-33(27)41(37,38)25-13-7-21(2)8-14-25/h7-14,23,26-27H,4-6,15-20H2,1-3H3,(H,31,34)